Geometry & MOs

Info

ID:

219967

PubChem CID:

85165095

Reduced:

NSO3C40H49 (1)

Stoich.:

ABC3D40E49 (1)

Weight, g/mol:

623.325328

ΔHf, kcal/mol:

-69.72

Dipole, Da:

2.73

IP(EA), eV:

 -7.98(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-2,2,8a-trimethyl-3-phenyl-6-prop-2-enyl-7,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyridine-5-thione

Drug info:

PubChemData

Smile

CCCCCCC1=C(SC(=C1)C=CC2=CC=C(C=C2)N(C3=CC=C(C=C3)CCCC)C4=CC=C(C=C4)CCOCCCO)C=O

DOS

IR

Vibrations